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1w7g

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Revision as of 17:41, 12 November 2007 by OCA (Talk | contribs)
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Image:1w7g.gif

1w7g, resolution 1.65Å

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ALPHA-THROMBIN COMPLEX WITH SULFATED HIRUDIN (RESIDUES 54-65) AND L-ARGININE TEMPLATE INHIBITOR CS107

Contents

Overview

Piperazinyl-amide derivatives of, N-alpha-(3-trifluoromethyl-benzenesulfonyl)-L-arginine (1) were, synthesized as graftable thrombin inhibitors. The possible disturbance of, biological activity due to a variable spacer-arm fixed on the N-4, piperazinyl position was evaluated in vitro, against human alpha-thrombin, and in blood coagulation assay. Molecular modelling (in silico analysis), and X-ray diffraction studies of thrombin-inhibitor complexes were also, performed. The fixation of bioactive molecules on poly(butylene, terephthalate) (PBT) and poly(ethylene terephthalate) (PET) membranes was, performed by wet chemistry treatment and evaluated by XPS analysis., Surface grafting of inhibitor 1d improved the membrane hemocompatibility, by reducing blood clot formation on the modified surface.

Disease

Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]

About this Structure

1W7G is a Protein complex structure of sequences from Homo sapiens with MIU as ligand. Active as Thrombin, with EC number 3.4.21.5 Structure known Active Site: AC1. Full crystallographic information is available from OCA.

Reference

Design, synthesis and evaluation of graftable thrombin inhibitors for the preparation of blood-compatible polymer materials., Salvagnini C, Michaux C, Remiche J, Wouters J, Charlier P, Marchand-Brynaert J, Org Biomol Chem. 2005 Dec 7;3(23):4209-20. Epub 2005 Oct 19. PMID:16294249

Page seeded by OCA on Mon Nov 12 19:47:27 2007

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